SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'WO4'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 1u7p MAGNESIUM-DEPENDENT
PHOSPHATASE-1
(Mus
musculus) 		4 / 8 ASP A  13
TRP A  17
ARG A  93
THR A  71
 WO4  A 505 ( 3.9A)
None
None
WO4  A 505 (-4.8A)
 1.39A 1ceaA-1u7pA:
undetectable
1ceaB-1u7pA:
undetectable		 1ceaA-1u7pA:
15.34
1ceaB-1u7pA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_B_HLTB4001_1
(SERUM ALBUMIN)		 5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM
(Bacillus
subtilis) 		4 / 4 ARG A 101
LYS A  96
ASP A 175
GLY A 178
 None
WO4  A 300 (-2.2A)
None
None
 1.06A 1e7bB-5jkiA:
undetectable		 1e7bB-5jkiA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		4 / 5 PHE A 115
GLY A  93
SER A  42
PHE A  47
 None
None
WO4  A 701 (-3.0A)
None
 1.38A 1icvA-3cg1A:
undetectable
1icvB-3cg1A:
undetectable		 1icvA-3cg1A:
21.43
1icvB-3cg1A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		4 / 8 GLU A 227
GLN A 329
HIS A 252
SER A 231
 WO4  A 701 (-2.5A)
None
None
None
 1.33A 1nx9A-3cfxA:
undetectable		 1nx9A-3cfxA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		4 / 8 GLU A 227
GLN A 329
HIS A 252
SER A 231
 WO4  A 701 (-2.5A)
None
None
None
 1.32A 1nx9B-3cfxA:
undetectable		 1nx9B-3cfxA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		4 / 8 GLU A 227
GLN A 329
HIS A 252
SER A 231
 WO4  A 701 (-2.5A)
None
None
None
 1.32A 1nx9C-3cfxA:
undetectable		 1nx9C-3cfxA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		4 / 8 GLU A 227
GLN A 329
HIS A 252
SER A 231
 WO4  A 701 (-2.5A)
None
None
None
 1.32A 1nx9D-3cfxA:
undetectable		 1nx9D-3cfxA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		3 / 3 ASP A  47
HIS A  81
HIS A  15
 ZN  A 401 (-2.7A)
WO4  A 403 (-4.0A)
ZN  A 402 ( 3.4A)
 0.64A 1oe1A-5vjwA:
undetectable		 1oe1A-5vjwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		3 / 3 ASP A  47
HIS A  81
HIS A  15
 ZN  A 401 (-2.7A)
WO4  A 403 (-4.0A)
ZN  A 402 ( 3.4A)
 0.63A 1oe3A-5vjwA:
undetectable		 1oe3A-5vjwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		 5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM
(Bacillus
subtilis) 		4 / 4 HIS A 171
VAL A 176
THR A  50
LEU A 160
 WO4  A 300 (-2.5A)
None
None
None
 0.98A 1oq5A-5jkiA:
undetectable		 1oq5A-5jkiA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		 2i34 ACID PHOSPHATASE
(Bacillus
anthracis) 		5 / 10 GLY A 142
VAL A 141
LEU A  66
TYR A 122
ALA A 102
 None
None
WO4  A 401 (-4.1A)
None
None
 1.16A 1pbcA-2i34A:
undetectable		 1pbcA-2i34A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3cg3 UPF0100 PROTEIN
PH0151
(Pyrococcus
horikoshii) 		5 / 11 SER A  37
THR A 214
ILE A 117
ILE A 115
VAL A 116
 WO4  A 701 (-2.4A)
None
None
None
None
 1.25A 1pkvA-3cg3A:
undetectable
1pkvB-3cg3A:
undetectable		 1pkvA-3cg3A:
15.29
1pkvB-3cg3A:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PKV_B_RBFB101_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3cg3 UPF0100 PROTEIN
PH0151
(Pyrococcus
horikoshii) 		5 / 11 ILE A 115
VAL A 116
SER A  37
THR A 214
ILE A 117
 None
None
WO4  A 701 (-2.4A)
None
None
 1.28A 1pkvA-3cg3A:
undetectable
1pkvB-3cg3A:
undetectable		 1pkvA-3cg3A:
15.29
1pkvB-3cg3A:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_D_FUAD705_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		5 / 12 SER A 152
PHE A 160
SER A 158
ALA A  84
HIS A  81
 None
None
None
None
WO4  A 403 (-4.0A)
 1.20A 1q23D-5vjwA:
undetectable
1q23E-5vjwA:
undetectable		 1q23D-5vjwA:
13.90
1q23E-5vjwA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		 1atg PERIPLASMIC
MOLYBDATE-BINDING
PROTEIN
(Azotobacter
vinelandii) 		5 / 12 ASN A  10
LEU A 166
ALA A 167
LEU A  18
THR A   7
 WO4  A 250 ( 3.7A)
None
None
None
None
 1.47A 2aa6B-1atgA:
undetectable		 2aa6B-1atgA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		 1z26 ARGONAUTE
(Pyrococcus
furiosus) 		4 / 6 LEU A 304
LEU A 300
LEU A 110
LEU A 106
 None
WO4  A 773 (-4.6A)
None
None
 1.04A 2ab2A-1z26A:
undetectable		 2ab2A-1z26A:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AB2_B_SNLB503_2
(MINERALOCORTICOID
RECEPTOR)		 1z26 ARGONAUTE
(Pyrococcus
furiosus) 		4 / 5 LEU A 304
LEU A 300
LEU A 110
LEU A 106
 None
WO4  A 773 (-4.6A)
None
None
 1.02A 2ab2B-1z26A:
undetectable		 2ab2B-1z26A:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DU8_A_BEZA352_0
(D-AMINO-ACID OXIDASE)		 2i34 ACID PHOSPHATASE
(Bacillus
anthracis) 		4 / 6 LEU A  66
TYR A 122
ILE A 151
GLY A 142
 WO4  A 401 (-4.1A)
None
None
None
 0.67A 2du8A-2i34A:
undetectable		 2du8A-2i34A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		 2i34 ACID PHOSPHATASE
(Bacillus
anthracis) 		4 / 6 LEU A  66
TYR A 122
ILE A 151
GLY A 142
 WO4  A 401 (-4.1A)
None
None
None
 0.67A 2du8B-2i34A:
undetectable		 2du8B-2i34A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H77_A_T3A1_1
(THRA PROTEIN)		 1wod MODA
(Escherichia
coli) 		5 / 12 ALA A  10
ALA A  16
SER A  12
LEU A 216
ILE A  20
 WO4  A 234 (-3.3A)
None
WO4  A 234 ( 2.7A)
None
None
 1.12A 2h77A-1wodA:
undetectable		 2h77A-1wodA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 1wod MODA
(Escherichia
coli) 		4 / 7 TYR A 170
ALA A  11
SER A  12
SER A  38
 WO4  A 234 ( 4.5A)
WO4  A 234 (-3.7A)
WO4  A 234 ( 2.7A)
WO4  A 234 ( 4.4A)
 0.93A 2i91A-1wodA:
undetectable		 2i91A-1wodA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 1wod MODA
(Escherichia
coli) 		4 / 7 TYR A 170
ALA A  11
SER A  12
SER A  38
 WO4  A 234 ( 4.5A)
WO4  A 234 (-3.7A)
WO4  A 234 ( 2.7A)
WO4  A 234 ( 4.4A)
 0.92A 2i91B-1wodA:
undetectable		 2i91B-1wodA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		5 / 12 GLN A 242
GLY A  41
LEU A  43
LEU A 221
SER A 155
 None
WO4  A 701 (-3.3A)
None
None
None
 1.36A 2nv4B-3cg1A:
undetectable		 2nv4B-3cg1A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1wod MODA
(Escherichia
coli) 		4 / 8 LEU A 115
LEU A 146
ALA A 155
ALA A 125
 None
None
None
WO4  A 234 ( 3.5A)
 0.87A 2vcvF-1wodA:
undetectable		 2vcvF-1wodA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_A_DAHA2_1
(RANASMURFIN)		 1wod MODA
(Escherichia
coli) 		5 / 9 ALA A  58
ALA A   9
SER A  35
SER A  12
ALA A  11
 WO4  A 234 (-3.6A)
None
None
WO4  A 234 ( 2.7A)
WO4  A 234 (-3.7A)
 1.46A 2vh3A-1wodA:
0.0		 2vh3A-1wodA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		3 / 3 ASP A  47
HIS A  81
HIS A  15
 ZN  A 401 (-2.7A)
WO4  A 403 (-4.0A)
ZN  A 402 ( 3.4A)
 0.67A 2xxgA-5vjwA:
undetectable		 2xxgA-5vjwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		3 / 3 ASP A  47
HIS A  81
HIS A  15
 ZN  A 401 (-2.7A)
WO4  A 403 (-4.0A)
ZN  A 402 ( 3.4A)
 0.67A 2xxgC-5vjwA:
undetectable		 2xxgC-5vjwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		5 / 12 TYR A 191
ILE A 215
GLU A 250
ALA A  37
SER A  33
 WO4  A 301 (-4.5A)
None
None
None
WO4  A 301 (-2.4A)
 1.39A 3apwA-4rxlA:
undetectable		 3apwA-4rxlA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_A_REMA350_1
(RENIN)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		5 / 12 GLY A 248
SER A 105
LEU A 196
SER A  33
ALA A 195
 None
None
None
WO4  A 301 (-2.4A)
None
 1.23A 3d91A-4rxlA:
undetectable		 3d91A-4rxlA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		5 / 12 GLY A  77
ASP A 161
PRO A 162
ALA A 163
ALA A  75
 WO4  A 701 (-3.4A)
WO4  A 701 (-2.8A)
WO4  A 701 (-3.5A)
WO4  A 701 (-3.4A)
None
 0.85A 3jb1A-3cfxA:
undetectable		 3jb1A-3cfxA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_2
(PROTEASE)		 2akc CLASS A NONSPECIFIC
ACID PHOSPHATASE
PHON
(Salmonella
enterica) 		3 / 3 ARG A 191
VAL A 208
THR A 119
 WO4  A 501 (-3.7A)
None
None
 0.81A 3ndtA-2akcA:
undetectable		 3ndtA-2akcA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		5 / 12 GLY A  49
ASP A 161
SER A  81
ALA A  79
SER A 105
 WO4  A 701 (-3.2A)
WO4  A 701 (-2.8A)
None
None
None
 1.16A 3sueD-3cfxA:
undetectable		 3sueD-3cfxA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 1atg PERIPLASMIC
MOLYBDATE-BINDING
PROTEIN
(Azotobacter
vinelandii) 		4 / 7 ILE A 115
GLY A  38
SER A  37
SER A  36
 None
None
WO4  A 250 ( 2.7A)
None
 0.85A 3v7pA-1atgA:
0.0		 3v7pA-1atgA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_A_ZMRA601_2
(NEURAMINIDASE)		 5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM
(Bacillus
subtilis) 		3 / 3 ARG A 101
ARG A 103
ILE A  18
 None
WO4  A 300 (-2.3A)
None
 0.86A 4b7qA-5jkiA:
undetectable		 4b7qA-5jkiA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_C_ZMRC601_2
(NEURAMINIDASE)		 5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM
(Bacillus
subtilis) 		3 / 3 ARG A 101
ARG A 103
ILE A  18
 None
WO4  A 300 (-2.3A)
None
 0.91A 4b7qC-5jkiA:
undetectable		 4b7qC-5jkiA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ujc PHOSPHOHISTIDINE
PHOSPHATASE SIXA
(Escherichia
coli) 		4 / 8 ARG A  21
PRO A 125
VAL A 112
MET A 127
 WO4  A 163 ( 4.3A)
None
None
None
 1.19A 4f4dB-1ujcA:
3.2		 4f4dB-1ujcA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		4 / 8 ALA A  31
SER A  78
TYR A 149
TYR A 217
 WO4  A 301 (-3.3A)
None
None
None
 1.16A 4ijiF-4rxlA:
undetectable		 4ijiF-4rxlA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 2akc CLASS A NONSPECIFIC
ACID PHOSPHATASE
PHON
(Salmonella
enterica) 		3 / 3 ARG A 130
ASP A  53
ASP A  47
 WO4  A 501 (-2.7A)
None
None
 0.69A 4kicB-2akcA:
undetectable		 4kicB-2akcA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		5 / 11 SER A 156
GLY A 164
ARG A 166
ALA A  98
ALA A  60
 None
None
None
WO4  A 701 (-3.5A)
None
 1.12A 4l6v1-3cfxA:
undetectable
4l6v6-3cfxA:
undetectable		 4l6v1-3cfxA:
18.63
4l6v6-3cfxA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 1wod MODA
(Escherichia
coli) 		5 / 12 ALA A  10
ALA A  16
SER A  12
LEU A 216
ILE A  20
 WO4  A 234 (-3.3A)
None
WO4  A 234 ( 2.7A)
None
None
 1.14A 4lnwA-1wodA:
undetectable		 4lnwA-1wodA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNX_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 1wod MODA
(Escherichia
coli) 		5 / 12 ALA A  10
ALA A  16
SER A  12
LEU A 216
ILE A  20
 WO4  A 234 (-3.3A)
None
WO4  A 234 ( 2.7A)
None
None
 1.14A 4lnxA-1wodA:
undetectable		 4lnxA-1wodA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		4 / 5 GLY A  79
ILE A 239
LYS A 238
GLN A 129
 None
None
WO4  A 404 (-3.5A)
WO4  A 404 ( 4.8A)
 1.05A 4ma8C-5vjwA:
undetectable		 4ma8C-5vjwA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		4 / 4 ASN A  80
GLY A  79
ASP A 287
ASP A  50
 WO4  A 403 ( 2.3A)
None
None
None
 1.38A 4n49A-5vjwA:
undetectable		 4n49A-5vjwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 ASP A  64
THR A 124
THR A 135
VAL A 103
ASP A 181
 MG  A 255 ( 2.5A)
WO4  A 256 (-3.6A)
None
None
MG  A 255 (-2.6A)
 1.11A 4njgA-3et5A:
0.2		 4njgA-3et5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJG_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 ASP A  64
THR A 124
THR A 135
VAL A 103
ASP A 181
 MG  A 255 ( 2.5A)
WO4  A 256 (-3.6A)
None
None
MG  A 255 (-2.6A)
 1.12A 4njgB-3et5A:
0.2		 4njgB-3et5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJI_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 ASP A  64
THR A 124
THR A 135
VAL A 103
ASP A 181
 MG  A 255 ( 2.5A)
WO4  A 256 (-3.6A)
None
None
MG  A 255 (-2.6A)
 1.33A 4njiA-3et5A:
0.0		 4njiA-3et5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJI_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 ASP A  64
THR A 124
THR A 135
VAL A 103
ASP A 181
 MG  A 255 ( 2.5A)
WO4  A 256 (-3.6A)
None
None
MG  A 255 (-2.6A)
 1.31A 4njiB-3et5A:
0.1		 4njiB-3et5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJJ_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 ASP A  64
THR A 124
THR A 135
VAL A 103
ASP A 181
 MG  A 255 ( 2.5A)
WO4  A 256 (-3.6A)
None
None
MG  A 255 (-2.6A)
 1.29A 4njjA-3et5A:
0.0		 4njjA-3et5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		5 / 10 TYR A 165
LEU A 102
LEU A  51
ALA A  48
GLY A 295
 None
None
None
WO4  A 701 (-3.2A)
None
 1.26A 4rn6A-3cfxA:
undetectable		 4rn6A-3cfxA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3cfz UPF0100 PROTEIN
MJ1186
(Methanocaldococc
us
jannaschii) 		5 / 10 TYR A 162
LEU A  99
LEU A  48
ALA A  45
GLY A 290
 None
None
None
WO4  A 701 (-3.0A)
None
 1.21A 4rn6A-3cfzA:
undetectable		 4rn6A-3cfzA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		5 / 10 TYR A 164
LEU A  99
LEU A  43
ALA A  40
GLY A 287
 None
None
None
WO4  A 701 (-3.1A)
None
 1.26A 4rn6A-3cg1A:
undetectable		 4rn6A-3cg1A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3cg3 UPF0100 PROTEIN
PH0151
(Pyrococcus
horikoshii) 		5 / 10 TYR A 159
LEU A  94
LEU A  38
ALA A  35
GLY A 282
 None
None
None
WO4  A 701 (-2.9A)
None
 1.23A 4rn6A-3cg3A:
undetectable		 4rn6A-3cg3A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3cij UPF0100 PROTEIN
AF_0094
(Archaeoglobus
fulgidus) 		5 / 10 TYR A 157
LEU A  94
LEU A  43
ALA A  40
GLY A 286
 None
None
None
WO4  A 400 (-3.3A)
None
 1.27A 4rn6A-3cijA:
undetectable		 4rn6A-3cijA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 5jki PUTATIVE LIPID
PHOSPHATE
PHOSPHATASE YODM
(Bacillus
subtilis) 		4 / 7 GLU A  97
LYS A  96
LEU A  95
LEU A 182
 None
WO4  A 300 (-2.2A)
None
None
 0.77A 4wg0B-5jkiA:
undetectable
4wg0C-5jkiA:
undetectable		 4wg0B-5jkiA:
5.61
4wg0C-5jkiA:
5.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		4 / 6 PHE A 115
GLY A  93
TYR A 286
ALA A  40
 None
None
None
WO4  A 701 (-3.1A)
 1.11A 4yshB-3cg1A:
undetectable		 4yshB-3cg1A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		 2akc CLASS A NONSPECIFIC
ACID PHOSPHATASE
PHON
(Salmonella
enterica) 		4 / 7 ARG A 130
VAL A 133
TRP A 198
SER A 153
 WO4  A 501 (-2.7A)
None
None
None
 1.10A 4zphA-2akcA:
undetectable
4zphB-2akcA:
undetectable		 4zphA-2akcA:
20.56
4zphB-2akcA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C6P_A_4YHA601_1
(PROTEIN C)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		4 / 6 ALA A  78
SER A  42
ASP A 160
PRO A 161
 None
WO4  A 701 (-3.0A)
WO4  A 701 (-2.7A)
WO4  A 701 (-3.7A)
 1.16A 5c6pA-3cg1A:
undetectable		 5c6pA-3cg1A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C6P_A_4YHA601_1
(PROTEIN C)		 3cg3 UPF0100 PROTEIN
PH0151
(Pyrococcus
horikoshii) 		4 / 6 ALA A  73
SER A  37
ASP A 155
PRO A 156
 None
WO4  A 701 (-2.4A)
WO4  A 701 (-2.8A)
WO4  A 701 (-3.7A)
 1.16A 5c6pA-3cg3A:
undetectable		 5c6pA-3cg3A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 3cfz UPF0100 PROTEIN
MJ1186
(Methanocaldococc
us
jannaschii) 		5 / 9 SER A  75
GLN A 165
PHE A 237
ILE A 238
ALA A 123
 WO4  A 701 (-2.1A)
None
None
None
None
 1.36A 5entC-3cfzA:
undetectable		 5entC-3cfzA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 GLY A  77
ASN A  82
SER A  73
ASP A  66
ARG A 126
 None
None
PG4  A 257 (-4.9A)
WO4  A 256 ( 3.7A)
None
 1.09A 5hikA-3et5A:
2.9		 5hikA-3et5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		4 / 6 ARG A 245
ASP A  13
GLY A 283
ASP A  47
 WO4  A 403 (-2.5A)
ZN  A 402 (-3.1A)
None
ZN  A 401 (-2.7A)
 1.25A 5hp1A-5vjwA:
undetectable		 5hp1A-5vjwA:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		4 / 6 ARG A 245
ASP A  13
GLY A 283
ASP A  47
 WO4  A 403 (-2.5A)
ZN  A 402 (-3.1A)
None
ZN  A 401 (-2.7A)
 1.28A 5hp1C-5vjwA:
undetectable		 5hp1C-5vjwA:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 1z26 ARGONAUTE
(Pyrococcus
furiosus) 		4 / 7 ILE A 145
VAL A 128
ARG A 111
GLN A 148
 WO4  A 773 (-3.8A)
None
None
None
 1.21A 5kkzC-1z26A:
undetectable
5kkzE-1z26A:
undetectable		 5kkzC-1z26A:
12.26
5kkzE-1z26A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 1z26 ARGONAUTE
(Pyrococcus
furiosus) 		4 / 7 ILE A 145
VAL A 128
ARG A 111
GLN A 148
 WO4  A 773 (-3.8A)
None
None
None
 1.19A 5kkzK-1z26A:
undetectable
5kkzQ-1z26A:
undetectable		 5kkzK-1z26A:
18.89
5kkzQ-1z26A:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 1z26 ARGONAUTE
(Pyrococcus
furiosus) 		4 / 7 ILE A 145
VAL A 128
ARG A 111
GLN A 148
 WO4  A 773 (-3.8A)
None
None
None
 1.23A 5kkzM-1z26A:
undetectable
5kkzO-1z26A:
undetectable		 5kkzM-1z26A:
12.26
5kkzO-1z26A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2
(Arabidopsis
thaliana) 		3 / 3 ASN A  80
TYR A 154
CYH A  49
 WO4  A 403 ( 2.3A)
WO4  A 404 ( 4.0A)
None
 0.94A 5lsuB-5vjwA:
undetectable		 5lsuB-5vjwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		5 / 12 LEU A 173
ALA A 174
TYR A 143
ALA A 163
TYR A 245
 None
None
None
WO4  A 701 (-3.4A)
WO4  A 701 (-4.3A)
 1.08A 5n5dB-3cfxA:
undetectable		 5n5dB-3cfxA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		 3cij UPF0100 PROTEIN
AF_0094
(Archaeoglobus
fulgidus) 		5 / 12 LEU A  94
ALA A  90
PHE A 147
VAL A 268
PHE A 188
 None
WO4  A 400 (-3.5A)
None
None
None
 1.32A 5x6yA-3cijA:
2.5		 5x6yA-3cijA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_A_ACTA504_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3cfz UPF0100 PROTEIN
MJ1186
(Methanocaldococc
us
jannaschii) 		4 / 4 VAL A 121
ASN A 258
LYS A 240
TYR A 239
 None
None
None
WO4  A 701 (-4.2A)
 1.29A 5yf0A-3cfzA:
0.1		 5yf0A-3cfzA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_A_ACTA504_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		4 / 4 VAL A 121
ASN A 255
LYS A 237
TYR A 236
 None
None
None
WO4  A 701 (-4.4A)
 1.28A 5yf0A-3cg1A:
0.6		 5yf0A-3cg1A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_A_ACTA504_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3cg3 UPF0100 PROTEIN
PH0151
(Pyrococcus
horikoshii) 		4 / 4 VAL A 116
ASN A 250
LYS A 232
TYR A 231
 None
None
None
WO4  A 701 (-4.3A)
 1.22A 5yf0A-3cg3A:
0.7		 5yf0A-3cg3A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_B_ACTB502_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3cfz UPF0100 PROTEIN
MJ1186
(Methanocaldococc
us
jannaschii) 		4 / 4 VAL A 121
ASN A 258
LYS A 240
TYR A 239
 None
None
None
WO4  A 701 (-4.2A)
 1.26A 5yf0B-3cfzA:
0.5		 5yf0B-3cfzA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_B_ACTB502_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		4 / 4 VAL A 121
ASN A 255
LYS A 237
TYR A 236
 None
None
None
WO4  A 701 (-4.4A)
 1.25A 5yf0B-3cg1A:
0.8		 5yf0B-3cg1A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_B_ACTB502_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3cg3 UPF0100 PROTEIN
PH0151
(Pyrococcus
horikoshii) 		4 / 4 VAL A 116
ASN A 250
LYS A 232
TYR A 231
 None
None
None
WO4  A 701 (-4.3A)
 1.20A 5yf0B-3cg3A:
0.7		 5yf0B-3cg3A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZWR_A_9KLA402_0
(EST-Y29)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		5 / 12 ILE A 109
TYR A 191
GLY A 147
ALA A 150
LEU A 154
 None
WO4  A 301 (-4.5A)
None
None
None
 1.08A 5zwrA-4rxlA:
undetectable		 5zwrA-4rxlA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		4 / 8 GLU A  82
ARG A 216
PRO A 218
PRO A 145
 None
None
None
WO4  A 301 (-3.6A)
 0.88A 6a4iA-4rxlA:
undetectable		 6a4iA-4rxlA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A4I_B_TRPB403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		4 / 7 GLU A  82
ARG A 216
PRO A 218
PRO A 145
 None
None
None
WO4  A 301 (-3.6A)
 1.21A 6a4iB-4rxlA:
undetectable		 6a4iB-4rxlA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN
(Vibrio
cholerae) 		5 / 9 ALA A  31
SER A  33
SER A  60
GLY A  58
ALA A 139
 WO4  A 301 (-3.3A)
WO4  A 301 (-2.4A)
WO4  A 301 (-2.3A)
None
WO4  A 301 ( 4.9A)
 0.97A 6bklE-4rxlA:
undetectable
6bklF-4rxlA:
undetectable
6bklG-4rxlA:
undetectable
6bklH-4rxlA:
undetectable		 6bklE-4rxlA:
7.89
6bklF-4rxlA:
7.89
6bklG-4rxlA:
7.89
6bklH-4rxlA:
7.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3cfx UPF0100 PROTEIN
MA_0280
(Methanosarcina
acetivorans) 		4 / 6 SER A  97
TYR A 294
ASP A 161
GLU A 227
 None
None
WO4  A 701 (-2.8A)
WO4  A 701 (-2.5A)
 1.28A 6djzA-3cfxA:
undetectable		 6djzA-3cfxA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3cfz UPF0100 PROTEIN
MJ1186
(Methanocaldococc
us
jannaschii) 		4 / 6 SER A  94
TYR A 289
ASP A 158
GLU A 221
 None
None
WO4  A 701 (-2.7A)
WO4  A 701 (-2.6A)
 1.30A 6djzA-3cfzA:
undetectable		 6djzA-3cfzA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DLZ_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		5 / 11 ILE A 279
PRO A 161
LEU A 272
SER A 274
ASP A  84
 None
WO4  A 701 (-3.7A)
None
None
None
 1.42A 6dlzA-3cg1A:
2.3
6dlzD-3cg1A:
9.2		 6dlzA-3cg1A:
14.53
6dlzD-3cg1A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DM1_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3cg1 UPF0100 PROTEIN
PF0080
(Pyrococcus
furiosus) 		5 / 11 ILE A 279
PRO A 161
LEU A 272
SER A 274
ASP A  84
 None
WO4  A 701 (-3.7A)
None
None
None
 1.42A 6dm1A-3cg1A:
2.1
6dm1D-3cg1A:
9.7		 6dm1A-3cg1A:
14.53
6dm1D-3cg1A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 1atg PERIPLASMIC
MOLYBDATE-BINDING
PROTEIN
(Azotobacter
vinelandii) 		5 / 12 ILE A 223
ASN A  10
PHE A  11
ALA A 195
LEU A  15
 None
WO4  A 250 ( 3.7A)
None
None
None
 1.03A 6dwnD-1atgA:
0.0		 6dwnD-1atgA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		 2akc CLASS A NONSPECIFIC
ACID PHOSPHATASE
PHON
(Salmonella
enterica) 		4 / 8 ALA A 204
LEU A  39
ALA A 122
LYS A 123
 None
None
None
WO4  A 501 (-2.7A)
 0.82A 6mdqA-2akcA:
undetectable		 6mdqA-2akcA:
12.88